Geometry & MOs

Info

ID:	220896
PubChem CID:	85240295
Reduced:	N2O2F3H11C13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	-184.27
Dipole, Da:	2.1
IP(EA), eV:	-10.1(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(4-methoxyphenyl)methyl]-1-phenylbutane-1,2-diamine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)CC2C(=NNC2=O)C(F)(F)F

DOS

IR

Vibrations